dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate

C25H27NO6 — CID 2897941

IUPACdimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C(C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC
InChIInChI=1S/C25H27NO6/c1-16(17-10-7-6-8-11-17)26-14-19(24(27)31-4)22(20(15-26)25(28)32-5)18-12-9-13-21(29-2)23(18)30-3/h6-16,22H,1-5H3
InChIKeyNSWGSDPDMCMKIV-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.98
Rot. Bonds7

About dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 2897941) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID2897941
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Namedimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C(C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC
InChIInChI=1S/C25H27NO6/c1-16(17-10-7-6-8-11-17)26-14-19(24(27)31-4)22(20(15-26)25(28)32-5)18-12-9-13-21(29-2)23(18)30-3/h6-16,22H,1-5H3
InChIKeyNSWGSDPDMCMKIV-UHFFFAOYSA-N
XLogP3.98
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate (CID 2897941) is dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C(C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC.
What is the InChIKey of dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is NSWGSDPDMCMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-16(17-10-7-6-8-11-17)26-14-19(24(27)31-4)22(20(15-26)25(28)32-5)18-12-9-13-21(29-2)23(18)30-3/h6-16,22H,1-5H3.
What are the key properties of dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2897941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).